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Benzo[b]furano[2',3':1,2][60]fullerene

View entire compound with spectra: 1 MS (GC)

Benzo[b]furano[2',3':1,2][60]fullerene
SpectraBase Compound ID IikGpITtxr4
InChI InChI=1S/C66H4O/c1-2-4-6-5(3-1)65-61-54-47-35-27-18-9-7-8-10-13(9)22-29(27)37-38-30(22)28-19(10)21-17-12(8)15-14-11(7)16-20(18)33(35)41-39-25(16)23(14)31-32-24(15)26(17)40-42-34(21)36(28)48-50(38)59(58(61)49(37)47)63-56(48)53(42)57-46(40)44(32)51-43(31)45(39)55(52(41)54)62(65)60(51)64(57)66(63,65)67-6/h1-4H
InChIKey SJQYGLSOQPREHI-UHFFFAOYSA-N
Mol Weight 812.8 g/mol
Molecular Formula C66H4O
Exact Mass 812.026215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I52OnHkziHo
Name Benzo[b]furano[2',3':1,2][60]fullerene
Comments Less than 3 mono-isotopic peaks
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Formula C66H4O
InChI InChI=1S/C66H4O/c1-2-4-6-5(3-1)65-61-54-47-35-27-18-9-7-8-10-13(9)22-29(27)37-38-30(22)28-19(10)21-17-12(8)15-14-11(7)16-20(18)33(35)41-39-25(16)23(14)31-32-24(15)26(17)40-42-34(21)36(28)48-50(38)59(58(61)49(37)47)63-56(48)53(42)57-46(40)44(32)51-43(31)45(39)55(52(41)54)62(65)60(51)64(57)66(63,65)67-6/h1-4H
InChIKey SJQYGLSOQPREHI-UHFFFAOYSA-N
Molecular Weight 812.757 g/mol
SMILES [c]123[c]4(c5c6c7c8c9c%10c%11c%12c%13c%14c(c4c4c%15c1c1c%16c%17c%18c%19c%20c%21c%22c%23c%20c%17c%17c%20c%23c(c7c%20c5c2c%16%17)c9c%22c%10c2c%21c5c%19c7c%18c1c%15c1c7c7c5c2c%11c%13c7c1c%144)c6c8%12)c1ccccc1o3
SPLASH splash10-0229-0000000960-36758d439dd8e7cb69b6
Source of Spectrum KC-0-1985-1
Wiley ID 828257